CID 14649362

2-{[(tert-butoxy)carbonyl]amino}-2,3-dimethylbutanoic acid

Structural Information

Molecular Formula
C11H21NO4
SMILES
CC(C)C(C)(C(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C11H21NO4/c1-7(2)11(6,8(13)14)12-9(15)16-10(3,4)5/h7H,1-6H3,(H,12,15)(H,13,14)
InChIKey
MXPBQQXWXZWBMK-UHFFFAOYSA-N
Compound name
2,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

231.14706 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.15434 153.2
[M+Na]+ 254.13628 158.0
[M-H]- 230.13978 152.1
[M+NH4]+ 249.18088 170.4
[M+K]+ 270.11022 158.8
[M+H-H2O]+ 214.14432 149.1
[M+HCOO]- 276.14526 170.3
[M+CH3COO]- 290.16091 192.1
[M+Na-2H]- 252.12173 155.8
[M]+ 231.14651 154.9
[M]- 231.14761 154.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe